2,2-dimethyl-5-[(2-methyl-4-nitroanilino)methylidene]-1,3-dioxane-4,6-dione
Chemical Structure Depiction of
2,2-dimethyl-5-[(2-methyl-4-nitroanilino)methylidene]-1,3-dioxane-4,6-dione
2,2-dimethyl-5-[(2-methyl-4-nitroanilino)methylidene]-1,3-dioxane-4,6-dione
Compound characteristics
Compound ID: | K699-0024 |
Compound Name: | 2,2-dimethyl-5-[(2-methyl-4-nitroanilino)methylidene]-1,3-dioxane-4,6-dione |
Molecular Weight: | 306.27 |
Molecular Formula: | C14 H14 N2 O6 |
Smiles: | Cc1cc(ccc1NC=C1C(=O)OC(C)(C)OC1=O)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 2.2277 |
logD: | 0.1495 |
logSw: | -2.7488 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 85.729 |
InChI Key: | REUOGPNPOITQQX-UHFFFAOYSA-N |